AG003HZC

392-12-1 | 3-(1H-indol-3-yl)-2-oxopropanoic acid

AG003HZC

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CAS Number	392-12-1
Catalog Number	AG003HZC(AGN-PC-0RJ0EV)
Chemical Name	3-(1H-indol-3-yl)-2-oxopropanoic acid
EC Number	206-874-1
IUPAC Name	3-(1H-indol-3-yl)-2-oxopropanoic acid
InChI	InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
InChI Key	RSTKLPZEZYGQPY-UHFFFAOYSA-N
MDL Number	MFCD00005640
Molecular Formula	C11H9NO3
Molecular Weight	203.1941
NSC Number	88874
SMILES	O=C(O)C(CC1=CNC2=C1C=CC=C2)=O
UNII	4QM0LT13A8
Synonyms	indol-3-yl pyruvic acid, indole-3-pyruvic acid, Indole-3-pyruvic acid, 392-12-1, 3-(1H-Indol-3-yl)-2-oxopropanoic acid, Indole-3-pyruvate, indolepyruvate, 3-Indolylpyruvic acid, Indolepyruvic acid, Indole pyruvic acid, Indolyl-3-pyruvate, 3-Indolepyruvic acid, indol-3-yl pyruvic acid, 3-Indolylpyroracemic acid, beta-Indolepyruvic acid, beta-Indolylpyruvic acid, Indole-3-pyruvic acid monohydrate, UNII-4QM0LT13A8, NSC 88874, 3-(indol-3-yl)pyruvic acid, (Indol-3-yl)pyruvate, 1H-Indole-3-propanoic acid, .alpha.-oxo-, EINECS 206-874-1, (indol-3-yl)pyruvic acid, alpha-Oxo-1H-indole-3-propanoic acid, BRN 0172966, 1H-Indole-3-propanoic acid, alpha-oxo-, 4QM0LT13A8, 3-(indol-3-yl)pyruvate, CHEBI:29750, RSTKLPZEZYGQPY-UHFFFAOYSA-N, 3-indol-3-yl-2-oxopropanoic acid, 3-[3-Indolyl]-2-oxopropanoic acid, 3IO, 3-(3-Indolyl)-2-oxopropanoic acid, Indol-3-ylpyruvic acid, Indole-3-pyrubate, 3-Indolpyruvic acid, indol-3-pyruvic acid, PubChem7282, 3-indole-pyruvic acid, 35656-49-6, .beta.-Indolepyruvic acid, .beta.-Indolylpyruvic acid, bmse000646, bmse000685, 1H-Indole-3-pyruvic acid, DSSTox_CID_22053, DSSTox_RID_79908, DSSTox_GSID_42053, 5-22-06-00324 (Beilstein Handbook Reference), MLS000515792, ARONIS24313, SCHEMBL125249, AC1L1A25, CHEMBL485012, DTXSID3042053, CTK4I1112, HMS2270A21, EBD45217, KS-000018CS, NSC88874, ZINC1532617, 1H-Indole-3-propanoicacid, a-oxo-, Tox21_301365, ANW-46652, CI-014, MFCD00005640, NSC-88874, SBB003515, STL286879, AKOS005267243, MCULE-1073478615, VI30400, NCGC00247042-01, NCGC00255790-01, AC-10208, AJ-26794, AN-44671, BC675676, CAS-392-12-1, LS-83400, SMR000112266, ST056381, 3-(1H-indol-3-yl)-2-keto-propionic acid, 3-(1H-indol-3-yl)-2-oxo-propanoic acid, AB1011912, Indole-3-pyruvic acid, >=98.0% (TLC), TC-135397, FT-0627222, ST24028266, KS-00004725, C00331, I-4200, 1H-Indole-3-propanoic acid, alpha-oxo- (9CI), 392I121, 3-(1H-indol-3-yl)-2-oxidanylidene-propanoic acid, AC17FD8D-94BC-4C87-B5E6-D2B60F03B45D, F9995-2651, 3-(3-Indolyl)-2-oxopropanoic acid; 3-Indolylpyruvic acid, 3-Indolylpyruvic acid; 3-(3-Indolyl)-2-oxopropanoic acid; alpha-Oxo-1H-indole-3-propanoic acid, 3- -2-oxopropanoicacid, C11H9NO3, 1H-Indole-3-proponoic acid, CID803, C11-H9-N-O3, 3-(1H-Indol-3-yl)-2-oxopropanoicacid, C008122,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.058g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	203.197g/mol
Monoisotopic Mass	203.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	70.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number